5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 117376080

IUPAC5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO3/c1-9(2)18-12-5-3-4-10(6-12)13-7-11(8-15-13)14(16)17/h3-6,9,11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyQUAJEVREQZFAOW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds4

About 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid

5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117376080) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117376080
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(C2CC(C(=O)O)CN2)c1
InChIInChI=1S/C14H19NO3/c1-9(2)18-12-5-3-4-10(6-12)13-7-11(8-15-13)14(16)17/h3-6,9,11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyQUAJEVREQZFAOW-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-cyclopropyloxyphenyl)pyrrolidine-3-carboxylic acid
CID 117370472
5-[3-(1,1-dioxothietan-3-yl)oxyphenyl]pyrrolidine-3-carboxylic acid
CID 117496212
5-[3-(2-hydroxypropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116974
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117463562
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
(2S)-2-[3-(difluoromethoxy)phenyl]aziridine
CID 55264090
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid (CID 117376080) is 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid is CC(C)Oc1cccc(C2CC(C(=O)O)CN2)c1.
What is the InChIKey of 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QUAJEVREQZFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(2)18-12-5-3-4-10(6-12)13-7-11(8-15-13)14(16)17/h3-6,9,11,13,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?
5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117376080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).